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CHEBI:209521 - Napyradiomycin D1

ChEBI IDCHEBI:209521
ChEBI NameNapyradiomycin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28Cl2O5
Net Charge0
Average Mass479.400
Monoisotopic Mass478.13138
SMILESCC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)cc2C3=O)OCC(C)=CCC1
InChIInChI=1S/C25H28Cl2O5/c1-14-6-5-7-15(2)13-31-18-11-16(28)10-17-20(18)22(30)24(27)12-19(26)23(3,4)32-25(24,9-8-14)21(17)29/h7-8,10-11,19,28H,5-6,9,12-13H2,1-4H3/t19-,24+,25+/m1/s1
InChIKeyPTNYYODJBDDUKA-NGXZDTIWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31888028)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin D1 (CHEBI:209521) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin D1 (CHEBI:209521) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,18R,20R)-18,20-dichloro-13-hydroxy-4,8,21,21-tetramethyl-10,22-dioxatetracyclo[13.7.1.01,18.011,16]tricosa-3,7,11,13,15-pentaene-17,23-dione